Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.5 BDBM50295500

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50295500 ((S)-3-Methyl-2-(7-(phenoxycarbonylamino)dibenzo[b,...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H22N2O6S2/c1-14(2)22(23(27)28)26-34(30,31)17-9-11-19-18-10-8-15(12-20(18)33-21(19)13-17)25-24(29)32-16-6-4-3-5-7-16/h3-14,22,26H,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50295500 ((S)-3-Methyl-2-(7-(phenoxycarbonylamino)dibenzo[b,...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H22N2O6S2/c1-14(2)22(23(27)28)26-34(30,31)17-9-11-19-18-10-8-15(12-20(18)33-21(19)13-17)25-24(29)32-16-6-4-3-5-7-16/h3-14,22,26H,1-2H3,(H,25,29)(H,27,28)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
					More data for this Ligand-Target Pair